⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18694115 | 1.00 | — | — | |
| SCHEMBL18693137 | 0.97 | — | — | |
| SCHEMBL1359784 | 0.90 | — | — | |
| SCHEMBL942688 | 0.77 | — | — | |
| SCHEMBL482290 | 0.77 | — | — | |
| SCHEMBL4159070 | 0.73 | — | — | |
| SCHEMBL102823 | 0.73 | — | — | |
| SCHEMBL4574477 | 0.73 | — | — | |
| SCHEMBL2481710 | 0.73 | — | — | |
| SCHEMBL942937 | 0.71 | HTR2A (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4149933-A1 | NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM | F. Hoffmann-La Roche AG (CH) | 2023-03-22 | — | — | EP | disclosed |
| WO-2021228795-A1 | NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM | F. HOFFMANN-LA ROCHE AG (CH) | 2021-11-18 | — | — | WO | disclosed |
| EP-3807269-A1 | NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM | F. Hoffmann-La Roche AG (CH) | 2021-04-21 | — | — | EP | disclosed |
| WO-2019238633-A1 | NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM | F. HOFFMANN-LA ROCHE AG (CH) | 2019-12-19 | — | — | WO | disclosed |